Spektraris NMR
Sinuflexibilin
Common Name: Sinuflexibilin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O6/c1-14-7-6-11-20(3,25)18(23)13-16(15(2)19(24)27-5)10-12-21(4,26)17(22)9-8-14/h7,16-18,22-23,25-26H,2,6,8-13H2,1,3-5H3/b14-7+/t16-,17+,18+,20-,21-/m0/s1
InChIKey: InChIKey=XVIUENHSSMFKJB-ANDBQVEUSA-N
Formula: C21H36O6
Molecular Weight: 384.507751
Exact Mass: 384.251189
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., Wang, S.K., Tseng, H.K., Sheu, J.H., Chiang, M.Y. J Nat Prod (1998) 61, 844-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 36.6 |
| 2 (CH2) | 33.7 |
| 3 (CH) | 71.2 |
| 4 (C) | 75.8 |
| 5 (CH2) | 39.5 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 128.9 |
| 8 (C) | 133.9 |
| 9 (CH2) | 35.9 |
| 10 (CH2) | 27.8 |
| 11 (CH) | 70.7 |
| 12 (C) | 75.3 |
| 13 (CH2) | 34.9 |
| 14 (CH2) | 24.4 |
| 15 (C) | 146.6 |
| 16 (CH2) | 124.3 |
| 17 (C) | 169.6 |
| 18 (CH3) | 23.7 |
| 19 (CH3) | 16.8 |
| 20 (CH3) | 24.1 |
| 17a (CH3) | 52.4 |
